3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide

C15H24N4O4S — CID 4213046

IUPAC3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
SMILESCCCCCCCC(C)=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O4S/c1-3-4-5-6-7-8-12(2)17-18-14-10-9-13(24(16,22)23)11-15(14)19(20)21/h9-11,18H,3-8H2,1-2H3,(H2,16,22,23)
InChIKeyYMRJLVZCLMKAOR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.39
Rot. Bonds10

About 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide

3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide (PubChem CID 4213046) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
PubChem CID4213046
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
SMILESCCCCCCCC(C)=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O4S/c1-3-4-5-6-7-8-12(2)17-18-14-10-9-13(24(16,22)23)11-15(14)19(20)21/h9-11,18H,3-8H2,1-2H3,(H2,16,22,23)
InChIKeyYMRJLVZCLMKAOR-UHFFFAOYSA-N
XLogP3.39
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 6269703
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
4-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5219545
4-[(2Z)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6305098
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 7959566
N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
CID 9060745
3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 6073544
3-nitro-4-(nonadecylamino)benzenesulfonic acid
CID 86063844
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
N-[(Z)-5-methylhexan-2-ylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6251475

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide?
The IUPAC name of 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide (CID 4213046) is 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide.
What is the SMILES notation for 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide?
The canonical SMILES for 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide is CCCCCCCC(C)=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide?
The InChIKey is YMRJLVZCLMKAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-3-4-5-6-7-8-12(2)17-18-14-10-9-13(24(16,22)23)11-15(14)19(20)21/h9-11,18H,3-8H2,1-2H3,(H2,16,22,23).
What are the key properties of 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide?
3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide is sourced from PubChem (CID 4213046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).